CID 736317

Ethyl 4-aminocinnamate

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

CCOC(=O)/C=C/C1=CC=C(C=C1)N

InChI

InChI=1S/C11H13NO2/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-8H,2,12H2,1H3/b8-5+

InChIKey

NRPMBSHHBFFYBF-VMPITWQZSA-N

Compound name

ethyl (E)-3-(4-aminophenyl)prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 306
Patents: 191.09464 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	192.10192	142.7
[M+Na]+	214.08386	153.9
[M+NH4]+	209.12846	150.1
[M+K]+	230.05780	147.8
[M-H]-	190.08736	144.4
[M+Na-2H]-	212.06931	148.4
[M]+	191.09409	144.5
[M]-	191.09519	144.5

Literature stripe

literature stripe

Patent stripe

patents stripe